sknano.structures.SWNTBundle

class sknano.structures.SWNTBundle(**kwargs)

SWNT bundle structure class.

Attributes

Ch	SWNT circumference \(|\mathbf{C}_h|\) in Å
Lx
Ly
Lz	SWNT length \(L_z = L_{\mathrm{tube}}\) in nanometers.
M	\(M = np - nq\)
N	Number of graphene hexagons in nanotube unit cell.
Natoms	Number of atoms in nanotube.
Natoms_per_bundle
Natoms_per_tube	Number of atoms in nanotube \(N_{\mathrm{atoms/tube}}\).
Natoms_per_unit_cell	Number of atoms in nanotube unit cell.
Ntubes
R	Symmetry vector \(\mathbf{R} = (p, q)\).
T	Length of nanotube unit cell \(|\mathbf{T}|\) in Å.
bond	Bond length in Å.
bundle_density
bundle_mass
bundle_packing
chiral_angle	Chiral angle \(\theta_c\) in degrees.
chiral_type
d	\(d=\gcd{(n, m)}\)
dR	\(d_R=\gcd{(2n + m, 2m + n)}\)
dt	Nanotube diameter \(d_t = \frac{|\mathbf{C}_h|}{\pi}\) in Å.
electronic_type	SWNT electronic type.
element1	Element symbol of Atom 1.
element2	Element symbol of Atom 2.
fix_Lz
linear_mass_density	Linear mass density of nanotube in g/nm.
m	Chiral index \(m\).
n	Chiral index \(n\).
nx	Number of nanotubes along the \(x\)-axis.
ny	Number of nanotubes along the \(y\)-axis.
nz	Number of nanotube unit cells along the \(z\)-axis.
rt	Nanotube radius \(r_t = \frac{|\mathbf{C}_h|}{2\pi}\) in Å.
t1	\(t_{1} = \frac{2m + n}{d_{R}}\)
t2	\(t_2 = -\frac{2n + m}{d_R}\)
tube_length	Alias for SWNT.Lz
tube_mass	SWNT mass in grams.
unit_cell_mass	Unit cell mass in atomic mass units.
unit_cell_symmetry_params

Methods

compute_bundle_params()	Compute/update nanotube bundle parameters.
todict()	Return dict of SWNT attributes.